Structural and theoretical studies of a new hexachlorostannate: (C7H10NO)2[SnCl6]·2H2O

Abstract In this work, the study of the structure and theoretical properties of a new hexachlorostannate: (C7H10NO)2[SnCl6]·2H2O (1) are reported. The compound crystallizing in the monoclinic P21/c space group was synthesized using solution method and characterized by single-crystal X-ray diffraction analysis. The Hirshfeld Surface analysis of intermolecular interactions confirmed that the hydrogen bonds: Cl⋯H, H⋯Cl, H⋯O/H⋯O and H⋯H contacts play a dominant role in the crystal structure of the investigated compound. The results of electronic structure analysis and the molecular modelling using the charges distribution allowed classifying this compound as a semiconductor with good electrophilic and nucleophilic reactivity.